Molecular formula
C13H22O3

SMILES
CC(=CCC/C(=C/COCC(=O)OC)/C)C

Fragrance
Floral	83.59%
Rose	74.32%
Sweet	71.18%
Fruity	58.69%
Waxy	58.68%
Green	57.67%
Citrus	54.5%
Fresh	50.67%
Geranium	38.8%
Tropical	37.65%

 

Flavor
Green	58.53%
Fruity	56.09%
Floral	55.94%
Rose	55.09%
Waxy	47.73%
Sweet	45.2%
Bitter	43.88%
Tropical	36.78%
Geranium	34.55%
Oily	30.48%

 

Odor impact est.
Medium

XLogP3-AA
3.4

pKa est.
8.03 (weak base)

Molecular weight
226.31 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
269°C

Flash point

• 120.23 ˚C est.

Methyl 2-[(2E)-3,7-dimethylocta-2,6-dienoxy]acetate is a terpene-like ester commonly used as a fragrance ingredient, providing a pleasant aroma and acting as a fixative in perfumery and cosmetic formulations. It also serves as an intermediate in the synthesis of more complex aroma compounds. Additionally, as an aroma-active ester, it can appear in household products such as detergents and cleaners to impart a desirable scent. Depending on local regulations and formulation limits, it may be considered for other industrial fragrance applications.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	447.26
methanol	359.36
isopropanol	341.01
water	0.16
ethyl acetate	471.26
n-propanol	352.41
acetone	320.84
n-butanol	350.42
acetonitrile	254.02
DMF	252.2
toluene	180.95
isobutanol	211.76
1,4-dioxane	759.53
methyl acetate	306.81
THF	728.25
2-butanone	351.85
n-pentanol	239.45
sec-butanol	420.96
n-hexane	35.77
ethylene glycol	42.45
NMP	241.58
cyclohexane	81.21
DMSO	473.54
n-butyl acetate	188.69
n-octanol	71.38
chloroform	1070.71
n-propyl acetate	221.69
acetic acid	327.83
dichloromethane	882.38
cyclohexanone	402.91
propylene glycol	167.23
isopropyl acetate	205.96
DMAc	346.71
2-ethoxyethanol	463.02
isopentanol	247.23
n-heptane	17.98
ethyl formate	164.94
1,2-dichloroethane	518.29
n-hexanol	194.94
2-methoxyethanol	614.31
isobutyl acetate	124.06
tetrachloromethane	120.43
n-pentyl acetate	109.94
transcutol	1219.48
n-heptanol	75.62
ethylbenzene	104.41
MIBK	163.93
2-propoxyethanol	321.76
tert-butanol	488.86
MTBE	350.04
2-butoxyethanol	176.66
propionic acid	217.9
o-xylene	123.19
formic acid	91.43
diethyl ether	412.21
m-xylene	126.46
p-xylene	130.07
chlorobenzene	191.59
dimethyl carbonate	64.75
n-octane	7.12
formamide	157.55
cyclopentanone	345.42
2-pentanone	274.35
anisole	228.28
cyclopentyl methyl ether	330.81
gamma-butyrolactone	352.42
1-methoxy-2-propanol	468.22
pyridine	404.85
3-pentanone	203.35
furfural	366.31
n-dodecane	5.09
diethylene glycol	227.12
diisopropyl ether	85.33
tert-amyl alcohol	455.37
acetylacetone	263.96
n-hexadecane	6.0
acetophenone	198.44
methyl propionate	239.72
isopentyl acetate	178.03
trichloroethylene	914.92
n-nonanol	67.88
cyclohexanol	335.31
benzyl alcohol	197.44
2-ethylhexanol	116.73
isooctanol	67.61
dipropyl ether	128.58
1,2-dichlorobenzene	187.02
ethyl lactate	114.05
propylene carbonate	204.68
n-methylformamide	139.41
2-pentanol	277.95
n-pentane	30.25
1-propoxy-2-propanol	229.62
1-methoxy-2-propyl acetate	228.74
2-(2-methoxypropoxy) propanol	227.29
mesitylene	77.63
ε-caprolactone	366.84
p-cymene	60.31
epichlorohydrin	643.27
1,1,1-trichloroethane	474.39
2-aminoethanol	151.13
morpholine-4-carbaldehyde	365.93
sulfolane	383.31
2,2,4-trimethylpentane	22.91
2-methyltetrahydrofuran	581.1
n-hexyl acetate	158.61
isooctane	13.93
2-(2-butoxyethoxy)ethanol	291.36
sec-butyl acetate	159.56
tert-butyl acetate	234.12
decalin	32.44
glycerin	166.46
diglyme	516.9
acrylic acid	148.88
isopropyl myristate	61.31
n-butyric acid	327.28
acetyl acetate	203.43
di(2-ethylhexyl) phthalate	67.97
ethyl propionate	197.05
nitromethane	425.91
1,2-diethoxyethane	313.37
benzonitrile	176.85
trioctyl phosphate	43.16
1-bromopropane	328.85
gamma-valerolactone	484.74
n-decanol	48.89
triethyl phosphate	89.53
4-methyl-2-pentanol	115.84
propionitrile	198.06
vinylene carbonate	177.1
1,1,2-trichlorotrifluoroethane	446.63
DMS	142.57
cumene	71.47
2-octanol	51.98
2-hexanone	204.89
octyl acetate	76.62
limonene	95.75
1,2-dimethoxyethane	525.65
ethyl orthosilicate	94.72
tributyl phosphate	60.41
diacetone alcohol	276.52
N,N-dimethylaniline	147.24
acrylonitrile	206.26
aniline	257.3
1,3-propanediol	275.72
bromobenzene	198.56
dibromomethane	613.88
1,1,2,2-tetrachloroethane	851.96
2-methyl-cyclohexyl acetate	156.61
tetrabutyl urea	73.96
diisobutyl methanol	67.7
2-phenylethanol	162.55
styrene	125.16
dioctyl adipate	107.36
dimethyl sulfate	108.73
ethyl butyrate	166.55
methyl lactate	114.67
butyl lactate	101.32
diethyl carbonate	114.97
propanediol butyl ether	176.32
triethyl orthoformate	133.09
p-tert-butyltoluene	59.31
methyl 4-tert-butylbenzoate	151.48
morpholine	969.92
tert-butylamine	293.19
n-dodecanol	37.33
dimethoxymethane	241.32
ethylene carbonate	160.79
cyrene	188.5
2-ethoxyethyl acetate	199.0
2-ethylhexyl acetate	141.28
1,2,4-trichlorobenzene	240.76
4-methylpyridine	346.63
dibutyl ether	108.2
2,6-dimethyl-4-heptanol	67.7
DEF	256.34
dimethyl isosorbide	325.37
tetrachloroethylene	468.86
eugenol	150.46
triacetin	195.98
span 80	179.82
1,4-butanediol	112.32
1,1-dichloroethane	519.03
2-methyl-1-pentanol	205.75
methyl formate	102.4
2-methyl-1-butanol	251.85
n-decane	9.74
butyronitrile	237.63
3,7-dimethyl-1-octanol	90.07
1-chlorooctane	54.58
1-chlorotetradecane	19.01
n-nonane	9.32
undecane	6.67
tert-butylcyclohexane	27.61
cyclooctane	22.09
cyclopentanol	232.53
tetrahydropyran	722.75
tert-amyl methyl ether	266.44
2,5,8-trioxanonane	359.79
1-hexene	135.87
2-isopropoxyethanol	291.91
2,2,2-trifluoroethanol	80.61
methyl butyrate	240.43

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